5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide

C16H15F2N3O2S — CID 176509332

IUPAC5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(c1ccc(F)cc1)N(CCF)S(=O)(=O)c1cncc(C#N)c1
InChIInChI=1S/C16H15F2N3O2S/c1-12(14-2-4-15(18)5-3-14)21(7-6-17)24(22,23)16-8-13(9-19)10-20-11-16/h2-5,8,10-12H,6-7H2,1H3
InChIKeyWRJYSKNCNABJAU-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.81
Rot. Bonds6

About 5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide

5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 176509332) has the molecular formula C16H15F2N3O2S and a molecular weight of 351.38 g/mol. Its IUPAC name is 5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID176509332
Molecular FormulaC16H15F2N3O2S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(c1ccc(F)cc1)N(CCF)S(=O)(=O)c1cncc(C#N)c1
InChIInChI=1S/C16H15F2N3O2S/c1-12(14-2-4-15(18)5-3-14)21(7-6-17)24(22,23)16-8-13(9-19)10-20-11-16/h2-5,8,10-12H,6-7H2,1H3
InChIKeyWRJYSKNCNABJAU-UHFFFAOYSA-N
XLogP2.81
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-Tosylpyrrolidin-2-yl)pyridine
CID 2738278
3-{1-[(4-Fluorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738275
3-(2,4-Difluorophenyl)-2-(2-pyridylsulfonyl)acrylonitrile
CID 5703047
4-fluoro-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]benzenesulfonohydrazide
CID 25237590
3-[2-(2-Fluoro-3-pyridinyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylbenzonitrile
CID 67084157
3,4-difluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2473445
3-[1-(Benzenesulfonyl)piperidin-2-yl]pyridine
CID 3155736
(E)-5-fluoro-2-(2-(5-(2-fluorophenylsulfonyl)pyridin-2-yl)vinyl)benzonitrile
CID 44439381
4-(2-(Pyridin-4-ylmethyleneamino)ethyl)benzenesulfonamide
CID 44445094
(2R)-1-(4-(1-fluoroethyl)phenylsulfonyl)-2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazine
CID 44564976
(R)-1-(4-(1,1-difluoroethyl)phenylsulfonyl)-2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazine
CID 44564977
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methylpyridine-3-sulfonamide
CID 53318856

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide (CID 176509332) is 5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide is CC(c1ccc(F)cc1)N(CCF)S(=O)(=O)c1cncc(C#N)c1.
What is the InChIKey of 5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is WRJYSKNCNABJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2S/c1-12(14-2-4-15(18)5-3-14)21(7-6-17)24(22,23)16-8-13(9-19)10-20-11-16/h2-5,8,10-12H,6-7H2,1H3.
What are the key properties of 5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide?
5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 351.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-fluoroethyl)-N-[1-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 176509332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).